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162358-03-4 | 1-Octanone, 1-[4-[2-(acetyloxy)ethyl]phenyl]-
CAS No: 162358-03-4 Catalog No: AG001T15 MDL No:MFCD23135647
Product Description
Catalog Number:
AG001T15
Chemical Name:
1-Octanone, 1-[4-[2-(acetyloxy)ethyl]phenyl]-
CAS Number:
162358-03-4
Molecular Formula:
C18H26O3
Molecular Weight:
290.3972
MDL Number:
MFCD23135647
IUPAC Name:
2-(4-octanoylphenyl)ethyl acetate
InChI:
InChI=1S/C18H26O3/c1-3-4-5-6-7-8-18(20)17-11-9-16(10-12-17)13-14-21-15(2)19/h9-12H,3-8,13-14H2,1-2H3
InChI Key:
YRGCTTARENKHBN-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)c1ccc(cc1)CCOC(=O)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.188g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.403g/mol
Monoisotopic Mass:
290.188g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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